3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester
TL;DR: 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester (CAS 7287-41-4) is a chemical compound with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: IFLab1_003643, ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, IDI1_009750, ethyl 6-bromo-5-hydroxy-2-methylbenzofuran-3-carboxylate, 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester
| Molecular Formula | C12H11BrO4 |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.98407 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 7287-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)C |
| InChIKey | BHMIROPXSMFXIR-UHFFFAOYSA-N |
Product Overview
3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester (CAS 7287-41-4), with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester
Property Insights of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester
The XLogP value of 3.3 indicates that 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester?
The CAS number of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester is 7287-41-4.
What is the molecular formula of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester?
The molecular formula of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester is C12H11BrO4.
What is the molecular weight of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester?
The molecular weight of 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester is 297.98 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester?
You can request a quote for 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.